9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one

C13H16ClN3O3 — CID 132648851

IUPAC9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)O1
InChIInChI=1S/C13H16ClN3O3/c14-10-6-15-17(7-10)8-11(18)16-5-1-3-13(9-16)4-2-12(19)20-13/h6-7H,1-5,8-9H2
InChIKeyPSILZQDYIXCSPE-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.23
Rot. Bonds2

About 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one

9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one (PubChem CID 132648851) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one
PubChem CID132648851
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)O1
InChIInChI=1S/C13H16ClN3O3/c14-10-6-15-17(7-10)8-11(18)16-5-1-3-13(9-16)4-2-12(19)20-13/h6-7H,1-5,8-9H2
InChIKeyPSILZQDYIXCSPE-UHFFFAOYSA-N
XLogP1.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one?
The IUPAC name of 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one (CID 132648851) is 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one is O=C1CCC2(CCCN(C(=O)Cn3cc(Cl)cn3)C2)O1.
What is the InChIKey of 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one?
The InChIKey is PSILZQDYIXCSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-10-6-15-17(7-10)8-11(18)16-5-1-3-13(9-16)4-2-12(19)20-13/h6-7H,1-5,8-9H2.
What are the key properties of 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one?
9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one has a molecular weight of 297.74 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-chloropyrazol-1-yl)acetyl]-1-oxa-9-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 132648851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).